3-(3-methylbut-2-enoxy)naphthalen-2-ol

C15H16O2 — CID 43143628

IUPAC3-(3-methylbut-2-enoxy)naphthalen-2-ol
SMILESCC(C)=CCOc1cc2ccccc2cc1O
InChIInChI=1S/C15H16O2/c1-11(2)7-8-17-15-10-13-6-4-3-5-12(13)9-14(15)16/h3-7,9-10,16H,8H2,1-2H3
InChIKeyCGYHELDGKSGGRF-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.89
Rot. Bonds3

About 3-(3-methylbut-2-enoxy)naphthalen-2-ol

3-(3-methylbut-2-enoxy)naphthalen-2-ol (PubChem CID 43143628) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoxy)naphthalen-2-ol.

Molecular Properties

Compound Name3-(3-methylbut-2-enoxy)naphthalen-2-ol
PubChem CID43143628
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name3-(3-methylbut-2-enoxy)naphthalen-2-ol
SMILESCC(C)=CCOc1cc2ccccc2cc1O
InChIInChI=1S/C15H16O2/c1-11(2)7-8-17-15-10-13-6-4-3-5-12(13)9-14(15)16/h3-7,9-10,16H,8H2,1-2H3
InChIKeyCGYHELDGKSGGRF-UHFFFAOYSA-N
XLogP3.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-(3-hydroxynaphthalen-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]naphthalen-2-ol
CID 101421766
1-methoxy-2-(3-methylbut-2-enoxy)benzene
CID 59165590
3-(3-methylbut-2-enoxy)quinoline
CID 107388245
2-(3-hydroxynaphthalen-2-yl)oxyacetonitrile
CID 43143618
2-(3-methylbut-2-enoxy)naphthalene-1-carbaldehyde
CID 10823964
2-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]ethanamine
CID 54930367
3-(6-hydroxyhexoxy)naphthalen-2-ol
CID 107704307
1-(3-methylbut-2-enoxy)-2-[[2-(3-methylbut-2-enoxy)phenyl]methoxymethyl]benzene
CID 23382023
(3-hydroxynaphthalen-2-yl)oxyboronic acid
CID 142698504
3-methylperoxynaphthalen-2-ol
CID 88579478
bis[(3-hydroxynaphthalen-2-yl)oxy]borinic acid
CID 174984804
potassium trifluoro-[2-(3-methylbut-2-enoxy)naphthalen-1-yl]boranuide
CID 63677250

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enoxy)naphthalen-2-ol?
The IUPAC name of 3-(3-methylbut-2-enoxy)naphthalen-2-ol (CID 43143628) is 3-(3-methylbut-2-enoxy)naphthalen-2-ol.
What is the SMILES notation for 3-(3-methylbut-2-enoxy)naphthalen-2-ol?
The canonical SMILES for 3-(3-methylbut-2-enoxy)naphthalen-2-ol is CC(C)=CCOc1cc2ccccc2cc1O.
What is the InChIKey of 3-(3-methylbut-2-enoxy)naphthalen-2-ol?
The InChIKey is CGYHELDGKSGGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-11(2)7-8-17-15-10-13-6-4-3-5-12(13)9-14(15)16/h3-7,9-10,16H,8H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enoxy)naphthalen-2-ol?
3-(3-methylbut-2-enoxy)naphthalen-2-ol has a molecular weight of 228.29 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-2-enoxy)naphthalen-2-ol is sourced from PubChem (CID 43143628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).